Geometry & MOs

Info

ID:	281951
PubChem CID:	103914592
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	4.01
IP(EA), eV:	-9.02(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=CNN=C1)NC2CCCC2S(=O)(=O)C

DOS

IR

Vibrations